4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]-N-(2-methylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-N-(2-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)-N-(o-tolyl)piperazine-1-carbothioamide Formula: C21H19ClN4O3S2 MolecularWeight: 474.98356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H19ClN4O3S2/c1-13-4-2-3-5-16(13)23-21(30)25-10-8-24(9-11-25)20(27)19-18(22)15-7-6-14(26(28)29)12-17(15)31-19/h2-7,12H,8-11H2,1H3,(H,23,30)